Y. T. Singh

A theoretical investigation of electronic and optical properties of (6,1) single-wall carbon nanotube (SWCNT)

Y. T. Singh, B. Chettri, M. Houmad et al. · Carbon letters · 2020 · 31 citations

Materials Science, One-dimensional Material, Engineering +13

Theoretical Investigation of Lead Perovskite PbXO₃ (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

Zosiamliana Renthlei, L. Celestine, Lalrin Kima et al. · Energy & Fuels · 2023 · 22 citations

Engineering, Energy Band Structure, Thermoelectrics +20

Study of electronic and mechanical properties of single walled Carbon nanotube (SWCNT) via substitutional Boron doping in zigzag and armchair pattern

Y. T. Singh, P. K. Patra, Nguyen N. Hieu · Surfaces and Interfaces · 2022 · 18 citations

Materials Science, Electrical Engineering, Boron Nitride +14

N-doped direction-dependent electronic and mechanical properties of single-walled carbon nanotube (SWCNT) from a first-principles density functional theory (DFT) and MD-simulation

Y. T. Singh, P. K. Patra, Kingsley Onyebuchi Obodo et al. · Journal of Molecular Graphics and Modelling · 2021 · 14 citations

Materials Science, One-dimensional Material, Nanosheet +12

Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications

L. Celestine, R. Zosiamliana, Lalrin Kima et al. · Journal of Physics Condensed Matter · 2024 · 14 citations · Full text